# generated using pymatgen data_Zn9Fe21O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03843473 _cell_length_b 6.05913253 _cell_length_c 24.97704123 _cell_angle_alpha 90.09350023 _cell_angle_beta 96.72789761 _cell_angle_gamma 119.99884379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn9Fe21O40 _chemical_formula_sum 'Zn9 Fe21 O40' _cell_volume 784.05005007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.25022800 0.87564000 0.12525100 1.0 Zn Zn1 1 0.74995500 0.87519200 0.12512600 1.0 Zn Zn2 1 0.04977200 0.27436000 0.32474900 1.0 Zn Zn3 1 0.55004500 0.27480800 0.32487400 1.0 Zn Zn4 1 0.85030100 0.67538600 0.52630600 1.0 Zn Zn5 1 0.74998600 0.87637600 0.62483300 1.0 Zn Zn6 1 0.65000000 0.07500000 0.72500000 1.0 Zn Zn7 1 0.44969900 0.47461400 0.92369400 1.0 Zn Zn8 1 0.55001400 0.27362400 0.82516700 1.0 Fe Fe9 1 0.35067400 0.67579600 0.02568700 1.0 Fe Fe10 1 0.00029900 0.00562200 0.00141900 1.0 Fe Fe11 1 0.24954800 0.37448500 0.12535000 1.0 Fe Fe12 1 0.05045200 0.77551500 0.32465000 1.0 Fe Fe13 1 0.69654000 0.34265300 0.04891500 1.0 Fe Fe14 1 0.49439300 0.74031800 0.24828300 1.0 Fe Fe15 1 0.15000000 0.07500000 0.22500000 1.0 Fe Fe16 1 0.60346000 0.80734700 0.40108500 1.0 Fe Fe17 1 0.80560700 0.40968200 0.20171700 1.0 Fe Fe18 1 0.35043800 0.67643600 0.52593000 1.0 Fe Fe19 1 0.10559700 0.54606300 0.65146500 1.0 Fe Fe20 1 0.29970100 0.14437800 0.44858100 1.0 Fe Fe21 1 0.94932600 0.47420400 0.42431300 1.0 Fe Fe22 1 0.19440300 0.60393700 0.79853500 1.0 Fe Fe23 1 0.39483300 0.20442800 0.59950400 1.0 Fe Fe24 1 0.84933900 0.17592900 0.52570600 1.0 Fe Fe25 1 0.15000000 0.07500000 0.72500000 1.0 Fe Fe26 1 0.45066100 0.97407100 0.92429400 1.0 Fe Fe27 1 0.65000000 0.57500000 0.72500000 1.0 Fe Fe28 1 0.90516700 0.94557200 0.85049600 1.0 Fe Fe29 1 0.94956200 0.47356400 0.92407000 1.0 O O30 1 0.06633700 0.52504300 0.07543300 1.0 O O31 1 0.53255000 0.52489900 0.07463300 1.0 O O32 1 0.33424900 0.92636600 0.27456500 1.0 O O33 1 0.44069900 0.71093300 0.17069900 1.0 O O34 1 0.05804600 0.03832900 0.07853500 1.0 O O35 1 0.96023100 0.74525700 0.17582800 1.0 O O36 1 0.23366300 0.62495700 0.37456700 1.0 O O37 1 0.43373100 0.22499200 0.17515800 1.0 O O38 1 0.86626900 0.92500800 0.27484200 1.0 O O39 1 0.14557200 0.80277000 0.47490100 1.0 O O40 1 0.53856400 0.00552600 0.07395300 1.0 O O41 1 0.33976900 0.40474300 0.27417200 1.0 O O42 1 0.14221800 0.33660600 0.47496100 1.0 O O43 1 0.05166300 0.51968300 0.57218300 1.0 O O44 1 0.24195400 0.11167100 0.37146500 1.0 O O45 1 0.76745000 0.62510100 0.37536700 1.0 O O46 1 0.64838200 0.83190400 0.47914000 1.0 O O47 1 0.96575100 0.22363400 0.17543500 1.0 O O48 1 0.85930100 0.43906700 0.27930100 1.0 O O49 1 0.34795300 0.93989400 0.77276100 1.0 O O50 1 0.76143600 0.14447400 0.37604700 1.0 O O51 1 0.54648300 0.53761600 0.57239500 1.0 O O52 1 0.03445800 0.02576800 0.57216400 1.0 O O53 1 0.66994000 0.32917100 0.47414100 1.0 O O54 1 0.46788400 0.72563800 0.67729600 1.0 O O55 1 0.94752700 0.73247800 0.67845400 1.0 O O56 1 0.85295400 0.91739200 0.77128500 1.0 O O57 1 0.24833700 0.63031700 0.87781700 1.0 O O58 1 0.15778200 0.81339400 0.97503900 1.0 O O59 1 0.54957000 0.02054200 0.57176200 1.0 O O60 1 0.35247300 0.41752200 0.77154600 1.0 O O61 1 0.44704600 0.23260800 0.67871500 1.0 O O62 1 0.15442700 0.34723000 0.97509900 1.0 O O63 1 0.83211600 0.42436200 0.77270400 1.0 O O64 1 0.63006000 0.82082900 0.97585900 1.0 O O65 1 0.95204700 0.21010600 0.67723900 1.0 O O66 1 0.75351700 0.61238400 0.87760500 1.0 O O67 1 0.26554200 0.12423200 0.87783600 1.0 O O68 1 0.75043000 0.12945800 0.87823800 1.0 O O69 1 0.65161800 0.31809600 0.97086000 1.0